SCHEMBL8681981

SCHEMBL8681981

Oc1cccc(-c2c(O)cccc2O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HPGD P15428 7/20 0.58
HSD17B10 Q99714 7/20 0.58
ALOX15 P16050 6/20 0.58
RECQL P46063 6/20 0.58
TDP1 Q9NUW8 5/20 0.58
LMNA P02545 4/20 0.58
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.58
EGFR P00533 2/20 0.58
FYN P06241 2/20 0.58
MMP9 P14780 2/20 0.58
ADAMTS4 O75173 1/20 0.58
MMP2 P08253 1/20 0.58
MMP8 P22894 1/20 0.58
CA6 P23280 1/20 0.58
CDK2 P24941 1/20 0.58
MMP12 P39900 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
MAOA P21397 3/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL337585 0.85 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL29453072 0.85 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL2941828 0.84 ALOX15 (0.46) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL9973582 0.82 HPGD (0.50) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL3486669 0.80 TSHR (0.50) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL19813844 0.80 TRPA1 (0.62) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL9973588 0.80 HPGD (0.61) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL29837181 0.80 MAOA (0.56) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL2729251 0.80 MAOA (0.56) ALDH1A1HPGDHSD17B10ALOX15RECQL
SCHEMBL9973586 0.79 HPGD (0.52) ALDH1A1HPGDHSD17B10ALOX15RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783111-A BLEND OF PROTONATED POLYANILINE, SUBSTITUTED POLYANILINES OR COPOLYMERS AND ONE OR MORE CYCLIC ORGANIC COMPOUND MODIFIER UNIAX CORPORATION (US) 1998-07-21 US disclosed